#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:43:41 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179761 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/57/7005750.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7005750
loop_
_publ_author_name
'Mikata, Yuji'
'So, Haruka'
'Yamashita, Azusa'
'Kawamura, Ayano'
'Mikuriya, Masahiro'
'Fukui, Kôichi'
'Ichimura, Akio'
'Yano, Shigenobu'
_publ_section_title
;
 Quinoline-based tetradendate nitrogen ligands stabilize the
 bis(micro-oxo) dinuclear manganese(iii,iii) core.
;
_journal_issue                   30
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3330
_journal_page_last               3334
_journal_paper_doi               10.1039/b705080a
_journal_year                    2007
_chemical_formula_sum            'C52 H62 Cl2 Mn2 N8 O11'
_chemical_formula_weight         1155.88
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.4191(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.018(6)
_cell_length_b                   21.574(7)
_cell_length_c                   17.179(6)
_cell_measurement_temperature    173(2)
_cell_volume                     5488(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0424
_diffrn_reflns_av_sigmaI/netI    0.0354
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            40797
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.59
_exptl_absorpt_coefficient_mu    0.623
_exptl_absorpt_correction_T_max  0.8855
_exptl_absorpt_correction_T_min  0.8351
_exptl_crystal_density_diffrn    1.399
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2408
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.460
_refine_diff_density_min         -0.931
_refine_diff_density_rms         0.219
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.165
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     680
_refine_ls_number_reflns         9395
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.165
_refine_ls_R_factor_all          0.0934
_refine_ls_R_factor_gt           0.0827
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1142P)²+10.4545P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2164
_refine_ls_wR_factor_ref         0.2285
_reflns_number_gt                8327
_reflns_number_total             9395
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b705080a.txt
_cod_data_source_block           etmn10
_cod_database_code               7005750
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x-1/2, -y-1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 0.20540(4) 0.05512(3) 0.24091(4) 0.0303(2) Uani 1 1 d . . .
Mn2 Mn 0.29940(4) -0.04961(3) 0.25862(4) 0.0288(2) Uani 1 1 d . . .
Cl1 Cl 0.50889(10) -0.20572(6) 0.09341(9) 0.0553(4) Uani 1 1 d . . .
Cl2 Cl 0.41039(11) -0.27141(7) 0.48087(11) 0.0648(4) Uani 1 1 d . . .
O1 O 0.19644(19) -0.01602(13) 0.18087(17) 0.0309(6) Uani 1 1 d . . .
O2 O 0.30808(19) 0.02192(13) 0.31828(17) 0.0311(6) Uani 1 1 d . . .
O3 O 0.4554(3) -0.1525(2) 0.0622(4) 0.101(2) Uani 1 1 d . . .
O4 O 0.6006(3) -0.1864(2) 0.1376(4) 0.0828(14) Uani 1 1 d . . .
O5 O 0.5078(4) -0.2459(3) 0.0292(4) 0.114(2) Uani 1 1 d . . .
O6 O 0.4766(4) -0.2367(2) 0.1487(3) 0.0774(13) Uani 1 1 d . . .
O7 O 0.4572(6) -0.2903(3) 0.5664(4) 0.146(3) Uani 1 1 d . . .
O8 O 0.3556(6) -0.3182(4) 0.4388(4) 0.144(3) Uani 1 1 d . . .
O9 O 0.4713(4) -0.2498(3) 0.4464(5) 0.123(3) Uani 1 1 d . . .
O10 O 0.3570(4) -0.2192(3) 0.4830(5) 0.112(2) Uani 1 1 d . . .
N1 N 0.1077(3) 0.10790(16) 0.1408(2) 0.0372(9) Uani 1 1 d . . .
N2 N 0.1874(3) 0.12976(16) 0.3169(2) 0.0362(8) Uani 1 1 d . . .
N3 N 0.2900(3) 0.11984(16) 0.1807(2) 0.0354(8) Uani 1 1 d . . .
N4 N 0.0943(2) 0.01995(16) 0.2970(2) 0.0343(8) Uani 1 1 d . . .
N5 N 0.4348(3) -0.08093(16) 0.3274(2) 0.0346(8) Uani 1 1 d . . .
N6 N 0.2805(2) -0.14335(16) 0.2126(2) 0.0325(8) Uani 1 1 d . . .
N7 N 0.3878(3) -0.01965(16) 0.1763(2) 0.0348(8) Uani 1 1 d . . .
N8 N 0.2336(2) -0.10677(16) 0.3433(2) 0.0330(8) Uani 1 1 d . . .
C1 C 0.1011(3) 0.1704(2) 0.1764(3) 0.0416(11) Uani 1 1 d . . .
H1 H 0.1516 0.1970 0.1766 0.050 Uiso 1 1 calc R . .
H2 H 0.0438 0.1906 0.1408 0.050 Uiso 1 1 calc R . .
C2 C 0.1046(3) 0.1638(2) 0.2638(3) 0.0420(11) Uani 1 1 d . . .
H3 H 0.1043 0.2053 0.2882 0.050 Uiso 1 1 calc R . .
H4 H 0.0506 0.1410 0.2629 0.050 Uiso 1 1 calc R . .
C3 C 0.1404(4) 0.1149(2) 0.0719(3) 0.0451(12) Uani 1 1 d . . .
H5 H 0.1036 0.1468 0.0322 0.054 Uiso 1 1 calc R . .
H6 H 0.1318 0.0753 0.0408 0.054 Uiso 1 1 calc R . .
C4 C 0.2381(4) 0.1331(2) 0.1019(3) 0.0414(11) Uani 1 1 d . . .
C5 C 0.2692(4) 0.1619(2) 0.0451(3) 0.0506(13) Uani 1 1 d . . .
H7 H 0.2287 0.1705 -0.0108 0.061 Uiso 1 1 calc R . .
C6 C 0.3576(4) 0.1772(2) 0.0704(4) 0.0572(14) Uani 1 1 d . . .
H8 H 0.3798 0.1965 0.0324 0.069 Uiso 1 1 calc R . .
C7 C 0.5099(4) 0.1782(2) 0.1844(4) 0.0617(16) Uani 1 1 d . . .
H9 H 0.5352 0.1964 0.1479 0.074 Uiso 1 1 calc R . .
C8 C 0.5636(4) 0.1657(2) 0.2656(4) 0.0610(16) Uani 1 1 d . . .
H10 H 0.6259 0.1761 0.2861 0.073 Uiso 1 1 calc R . .
C9 C 0.5275(4) 0.1376(2) 0.3191(4) 0.0529(13) Uani 1 1 d . . .
H11 H 0.5656 0.1296 0.3760 0.063 Uiso 1 1 calc R . .
C10 C 0.4383(3) 0.1215(2) 0.2909(3) 0.0435(11) Uani 1 1 d . . .
H12 H 0.4154 0.1012 0.3277 0.052 Uiso 1 1 calc R . .
C11 C 0.3801(3) 0.13488(19) 0.2070(3) 0.0392(10) Uani 1 1 d . . .
C12 C 0.4160(4) 0.1642(2) 0.1536(4) 0.0481(12) Uani 1 1 d . . .
C13 C 0.0185(3) 0.0761(2) 0.1083(3) 0.0481(12) Uani 1 1 d . . .
H13 H -0.0046 0.0750 0.1541 0.058 Uiso 1 1 calc R . .
H14 H 0.0281 0.0327 0.0950 0.058 Uiso 1 1 calc R . .
C14 C -0.0534(4) 0.1039(3) 0.0319(4) 0.0676(18) Uani 1 1 d . . .
H15 H -0.0646 0.1468 0.0440 0.101 Uiso 1 1 calc R . .
H16 H -0.1091 0.0798 0.0172 0.101 Uiso 1 1 calc R . .
H17 H -0.0333 0.1032 -0.0153 0.101 Uiso 1 1 calc R . .
C15 C 0.1741(3) 0.1020(2) 0.3899(3) 0.0394(10) Uani 1 1 d . . .
H18 H 0.1564 0.1349 0.4208 0.047 Uiso 1 1 calc R . .
H19 H 0.2319 0.0840 0.4286 0.047 Uiso 1 1 calc R . .
C16 C 0.1035(3) 0.0528(2) 0.3640(3) 0.0394(11) Uani 1 1 d . . .
C17 C 0.0504(4) 0.0436(2) 0.4117(3) 0.0492(12) Uani 1 1 d . . .
H20 H 0.0589 0.0690 0.4593 0.059 Uiso 1 1 calc R . .
C18 C -0.0133(4) -0.0018(3) 0.3895(4) 0.0540(13) Uani 1 1 d . . .
H21 H -0.0491 -0.0085 0.4218 0.065 Uiso 1 1 calc R . .
C19 C -0.0902(4) -0.0868(3) 0.2910(4) 0.0562(14) Uani 1 1 d . . .
H22 H -0.1281 -0.0949 0.3210 0.067 Uiso 1 1 calc R . .
C20 C -0.0984(4) -0.1211(3) 0.2232(4) 0.0556(14) Uani 1 1 d . . .
H23 H -0.1424 -0.1531 0.2053 0.067 Uiso 1 1 calc R . .
C21 C -0.0421(4) -0.1101(2) 0.1785(3) 0.0480(12) Uani 1 1 d . . .
H24 H -0.0487 -0.1349 0.1308 0.058 Uiso 1 1 calc R . .
C22 C 0.0219(3) -0.0641(2) 0.2025(3) 0.0406(11) Uani 1 1 d . . .
H25 H 0.0598 -0.0573 0.1722 0.049 Uiso 1 1 calc R . .
C23 C 0.0307(3) -0.0268(2) 0.2735(3) 0.0374(10) Uani 1 1 d . . .
C24 C -0.0260(3) -0.0391(2) 0.3178(3) 0.0457(12) Uani 1 1 d . . .
C25 C 0.2675(3) 0.1713(2) 0.3475(3) 0.0414(11) Uani 1 1 d . . .
H26 H 0.2717 0.1924 0.2980 0.050 Uiso 1 1 calc R . .
H27 H 0.3219 0.1450 0.3723 0.050 Uiso 1 1 calc R . .
C26 C 0.2710(4) 0.2208(2) 0.4119(4) 0.0555(14) Uani 1 1 d . . .
H28 H 0.2166 0.2465 0.3896 0.083 Uiso 1 1 calc R . .
H29 H 0.3246 0.2467 0.4232 0.083 Uiso 1 1 calc R . .
H30 H 0.2741 0.2009 0.4642 0.083 Uiso 1 1 calc R . .
C27 C 0.4445(3) -0.1418(2) 0.2899(3) 0.0388(10) Uani 1 1 d . . .
H31 H 0.4557 -0.1347 0.2378 0.047 Uiso 1 1 calc R . .
H32 H 0.4966 -0.1648 0.3301 0.047 Uiso 1 1 calc R . .
C28 C 0.3602(3) -0.17894(19) 0.2702(3) 0.0380(10) Uani 1 1 d . . .
H33 H 0.3655 -0.2185 0.2432 0.046 Uiso 1 1 calc R . .
H34 H 0.3516 -0.1888 0.3230 0.046 Uiso 1 1 calc R . .
C29 C 0.4994(3) -0.0363(2) 0.3160(3) 0.0394(10) Uani 1 1 d . . .
H35 H 0.5598 -0.0559 0.3345 0.047 Uiso 1 1 calc R . .
H36 H 0.5042 0.0003 0.3523 0.047 Uiso 1 1 calc R . .
C30 C 0.4722(3) -0.0152(2) 0.2267(3) 0.0384(10) Uani 1 1 d . . .
C31 C 0.5401(3) 0.0112(2) 0.2023(4) 0.0453(12) Uani 1 1 d . . .
H37 H 0.6011 0.0130 0.2409 0.054 Uiso 1 1 calc R . .
C32 C 0.5163(4) 0.0337(2) 0.1228(4) 0.0477(12) Uani 1 1 d . . .
H38 H 0.5602 0.0527 0.1059 0.057 Uiso 1 1 calc R . .
C33 C 0.3968(4) 0.0500(2) -0.0183(4) 0.0534(14) Uani 1 1 d . . .
H39 H 0.4388 0.0692 -0.0374 0.064 Uiso 1 1 calc R . .
C34 C 0.3092(5) 0.0434(3) -0.0720(4) 0.0568(15) Uani 1 1 d . . .
H40 H 0.2906 0.0570 -0.1287 0.068 Uiso 1 1 calc R . .
C35 C 0.2470(4) 0.0166(2) -0.0436(3) 0.0482(12) Uani 1 1 d . . .
H41 H 0.1861 0.0119 -0.0816 0.058 Uiso 1 1 calc R . .
C36 C 0.2719(3) -0.0033(2) 0.0386(3) 0.0405(11) Uani 1 1 d . . .
H42 H 0.2279 -0.0202 0.0572 0.049 Uiso 1 1 calc R . .
C37 C 0.3622(3) 0.00141(19) 0.0945(3) 0.0372(10) Uani 1 1 d . . .
C38 C 0.4259(4) 0.0286(2) 0.0659(3) 0.0430(11) Uani 1 1 d . . .
C39 C 0.4528(3) -0.0865(2) 0.4185(3) 0.0421(11) Uani 1 1 d . . .
H43 H 0.4122 -0.1187 0.4255 0.051 Uiso 1 1 calc R . .
H44 H 0.4363 -0.0467 0.4377 0.051 Uiso 1 1 calc R . .
C40 C 0.5489(4) -0.1024(3) 0.4762(3) 0.0570(14) Uani 1 1 d . . .
H45 H 0.5657 -0.1426 0.4599 0.085 Uiso 1 1 calc R . .
H46 H 0.5530 -0.1046 0.5346 0.085 Uiso 1 1 calc R . .
H47 H 0.5901 -0.0704 0.4716 0.085 Uiso 1 1 calc R . .
C41 C 0.1979(3) -0.1680(2) 0.2184(3) 0.0377(10) Uani 1 1 d . . .
H48 H 0.1966 -0.2135 0.2105 0.045 Uiso 1 1 calc R . .
H49 H 0.1451 -0.1504 0.1720 0.045 Uiso 1 1 calc R . .
C42 C 0.1890(3) -0.1543(2) 0.2998(3) 0.0358(10) Uani 1 1 d . . .
C43 C 0.1319(3) -0.1919(2) 0.3254(3) 0.0442(11) Uani 1 1 d . . .
H50 H 0.1003 -0.2258 0.2915 0.053 Uiso 1 1 calc R . .
C44 C 0.1227(4) -0.1793(2) 0.3987(3) 0.0475(12) Uani 1 1 d . . .
H51 H 0.0843 -0.2040 0.4164 0.057 Uiso 1 1 calc R . .
C45 C 0.1651(4) -0.1144(3) 0.5268(3) 0.0509(13) Uani 1 1 d . . .
H52 H 0.1285 -0.1387 0.5475 0.061 Uiso 1 1 calc R . .
C46 C 0.2114(4) -0.0662(3) 0.5724(3) 0.0522(13) Uani 1 1 d . . .
H53 H 0.2084 -0.0572 0.6254 0.063 Uiso 1 1 calc R . .
C47 C 0.2646(3) -0.0290(2) 0.5419(3) 0.0447(11) Uani 1 1 d . . .
H54 H 0.2958 0.0057 0.5739 0.054 Uiso 1 1 calc R . .
C48 C 0.2720(3) -0.0423(2) 0.4665(3) 0.0403(11) Uani 1 1 d . . .
H55 H 0.3083 -0.0170 0.4466 0.048 Uiso 1 1 calc R . .
C49 C 0.2256(3) -0.0933(2) 0.4189(3) 0.0355(10) Uani 1 1 d . . .
C50 C 0.1698(3) -0.1296(2) 0.4484(3) 0.0413(11) Uani 1 1 d . . .
C51 C 0.2737(3) -0.1466(2) 0.1236(3) 0.0375(10) Uani 1 1 d . . .
H56 H 0.3318 -0.1324 0.1220 0.045 Uiso 1 1 calc R . .
H57 H 0.2267 -0.1169 0.0898 0.045 Uiso 1 1 calc R . .
C52 C 0.2518(4) -0.2092(2) 0.0817(3) 0.0494(12) Uani 1 1 d . . .
H58 H 0.3001 -0.2385 0.1116 0.074 Uiso 1 1 calc R . .
H59 H 0.2463 -0.2056 0.0231 0.074 Uiso 1 1 calc R . .
H60 H 0.1946 -0.2242 0.0831 0.074 Uiso 1 1 calc R . .
O11 O 0.6836(4) -0.1246(3) 0.3164(5) 0.120(2) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Mn1 O1 86.34(12) . . ?
O2 Mn1 N1 165.52(15) . . ?
O1 Mn1 N1 96.68(13) . . ?
O2 Mn1 N2 98.24(13) . . ?
O1 Mn1 N2 165.70(15) . . ?
N1 Mn1 N2 82.27(14) . . ?
O2 Mn1 N3 92.39(13) . . ?
O1 Mn1 N3 100.30(13) . . ?
N1 Mn1 N3 73.14(14) . . ?
N2 Mn1 N3 93.07(14) . . ?
O2 Mn1 N4 100.41(13) . . ?
O1 Mn1 N4 92.85(13) . . ?
N1 Mn1 N4 93.60(14) . . ?
N2 Mn1 N4 73.03(14) . . ?
N3 Mn1 N4 162.22(12) . . ?
O2 Mn1 Mn2 43.14(9) . . ?
O1 Mn1 Mn2 43.20(9) . . ?
N1 Mn1 Mn2 138.10(10) . . ?
N2 Mn1 Mn2 139.63(10) . . ?
N3 Mn1 Mn2 98.79(9) . . ?
N4 Mn1 Mn2 98.99(9) . . ?
O2 Mn2 O1 85.96(12) . . ?
O2 Mn2 N5 96.45(13) . . ?
O1 Mn2 N5 165.27(14) . . ?
O2 Mn2 N6 165.92(14) . . ?
O1 Mn2 N6 98.22(13) . . ?
N5 Mn2 N6 82.93(13) . . ?
O2 Mn2 N8 92.87(13) . . ?
O1 Mn2 N8 99.32(13) . . ?
N5 Mn2 N8 95.08(13) . . ?
N6 Mn2 N8 73.22(13) . . ?
O2 Mn2 N7 99.47(13) . . ?
O1 Mn2 N7 91.89(13) . . ?
N5 Mn2 N7 73.38(14) . . ?
N6 Mn2 N7 93.85(13) . . ?
N8 Mn2 N7 163.89(12) . . ?
O2 Mn2 Mn1 42.94(9) . . ?
O1 Mn2 Mn1 43.02(9) . . ?
N5 Mn2 Mn1 137.54(10) . . ?
N6 Mn2 Mn1 139.52(10) . . ?
N8 Mn2 Mn1 98.23(9) . . ?
N7 Mn2 Mn1 97.86(9) . . ?
O5 Cl1 O3 112.5(4) . . ?
O5 Cl1 O6 109.9(4) . . ?
O3 Cl1 O6 108.4(3) . . ?
O5 Cl1 O4 107.5(4) . . ?
O3 Cl1 O4 108.4(3) . . ?
O6 Cl1 O4 110.3(3) . . ?
O8 Cl2 O9 116.0(5) . . ?
O8 Cl2 O10 109.3(5) . . ?
O9 Cl2 O10 105.6(4) . . ?
O8 Cl2 O7 108.4(5) . . ?
O9 Cl2 O7 110.6(5) . . ?
O10 Cl2 O7 106.5(5) . . ?
Mn1 O1 Mn2 93.78(13) . . ?
Mn1 O2 Mn2 93.92(13) . . ?
C3 N1 C13 109.4(4) . . ?
C3 N1 C1 109.7(4) . . ?
C13 N1 C1 111.0(4) . . ?
C3 N1 Mn1 108.9(3) . . ?
C13 N1 Mn1 110.9(3) . . ?
C1 N1 Mn1 106.9(3) . . ?
C15 N2 C2 109.7(4) . . ?
C15 N2 C25 109.2(4) . . ?
C2 N2 C25 111.5(4) . . ?
C15 N2 Mn1 107.9(3) . . ?
C2 N2 Mn1 106.9(3) . . ?
C25 N2 Mn1 111.5(3) . . ?
C4 N3 C11 117.2(4) . . ?
C4 N3 Mn1 108.9(3) . . ?
C11 N3 Mn1 132.8(3) . . ?
C16 N4 C23 118.5(4) . . ?
C16 N4 Mn1 108.8(3) . . ?
C23 N4 Mn1 132.7(3) . . ?
C29 N5 C39 109.1(3) . . ?
C29 N5 C27 108.8(4) . . ?
C39 N5 C27 111.9(4) . . ?
C29 N5 Mn2 109.5(3) . . ?
C39 N5 Mn2 110.8(3) . . ?
C27 N5 Mn2 106.8(3) . . ?
C41 N6 C51 109.8(3) . . ?
C41 N6 C28 109.5(3) . . ?
C51 N6 C28 111.5(3) . . ?
C41 N6 Mn2 108.7(3) . . ?
C51 N6 Mn2 111.4(3) . . ?
C28 N6 Mn2 106.0(2) . . ?
C30 N7 C37 118.9(4) . . ?
C30 N7 Mn2 108.6(3) . . ?
C37 N7 Mn2 131.6(3) . . ?
C42 N8 C49 118.3(4) . . ?
C42 N8 Mn2 108.8(3) . . ?
C49 N8 Mn2 132.2(3) . . ?
C2 C1 N1 110.1(4) . . ?
N2 C2 C1 110.4(4) . . ?
N1 C3 C4 113.2(4) . . ?
N3 C4 C5 123.9(5) . . ?
N3 C4 C3 117.5(4) . . ?
C5 C4 C3 118.6(4) . . ?
C6 C5 C4 119.4(5) . . ?
C5 C6 C12 119.2(5) . . ?
C8 C7 C12 120.3(6) . . ?
C7 C8 C9 120.2(6) . . ?
C10 C9 C8 121.1(6) . . ?
C9 C10 C11 120.1(5) . . ?
N3 C11 C12 122.0(4) . . ?
N3 C11 C10 119.2(4) . . ?
C12 C11 C10 118.8(5) . . ?
C6 C12 C11 118.3(5) . . ?
C6 C12 C7 122.4(5) . . ?
C11 C12 C7 119.4(5) . . ?
N1 C13 C14 116.8(4) . . ?
N2 C15 C16 112.0(4) . . ?
N4 C16 C17 123.0(5) . . ?
N4 C16 C15 117.8(4) . . ?
C17 C16 C15 119.2(4) . . ?
C18 C17 C16 119.8(5) . . ?
C17 C18 C24 119.7(5) . . ?
C20 C19 C24 120.4(6) . . ?
C19 C20 C21 120.5(5) . . ?
C22 C21 C20 121.2(5) . . ?
C21 C22 C23 119.0(5) . . ?
N4 C23 C24 122.2(4) . . ?
N4 C23 C22 119.1(4) . . ?
C24 C23 C22 118.7(4) . . ?
C19 C24 C23 120.1(5) . . ?
C19 C24 C18 123.0(5) . . ?
C23 C24 C18 116.8(5) . . ?
N2 C25 C26 117.9(4) . . ?
C28 C27 N5 109.6(4) . . ?
N6 C28 C27 110.1(4) . . ?
N5 C29 C30 112.8(4) . . ?
N7 C30 C31 123.2(5) . . ?
N7 C30 C29 118.9(4) . . ?
C31 C30 C29 117.8(4) . . ?
C32 C31 C30 119.1(5) . . ?
C31 C32 C38 119.3(5) . . ?
C34 C33 C38 120.8(5) . . ?
C33 C34 C35 119.7(5) . . ?
C36 C35 C34 121.4(5) . . ?
C35 C36 C37 119.9(5) . . ?
N7 C37 C36 120.1(4) . . ?
N7 C37 C38 121.0(4) . . ?
C36 C37 C38 118.9(4) . . ?
C32 C38 C33 122.3(5) . . ?
C32 C38 C37 118.4(5) . . ?
C33 C38 C37 119.2(5) . . ?
N5 C39 C40 116.6(4) . . ?
N6 C41 C42 113.9(4) . . ?
N8 C42 C43 123.3(4) . . ?
N8 C42 C41 117.8(4) . . ?
C43 C42 C41 118.9(4) . . ?
C44 C43 C42 119.1(5) . . ?
C43 C44 C50 120.0(5) . . ?
C46 C45 C50 121.1(5) . . ?
C45 C46 C47 120.2(5) . . ?
C48 C47 C46 120.9(5) . . ?
C47 C48 C49 119.6(5) . . ?
N8 C49 C48 119.5(4) . . ?
N8 C49 C50 121.1(4) . . ?
C48 C49 C50 119.4(4) . . ?
C44 C50 C45 123.1(5) . . ?
C44 C50 C49 118.1(4) . . ?
C45 C50 C49 118.8(5) . . ?
N6 C51 C52 116.3(4) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mn1 O2 1.821(3) . ?
Mn1 O1 1.824(3) . ?
Mn1 N1 2.157(4) . ?
Mn1 N2 2.161(4) . ?
Mn1 N3 2.434(4) . ?
Mn1 N4 2.446(4) . ?
Mn1 Mn2 2.6675(11) . ?
Mn2 O2 1.828(3) . ?
Mn2 O1 1.830(3) . ?
Mn2 N5 2.145(4) . ?
Mn2 N6 2.150(4) . ?
Mn2 N8 2.433(4) . ?
Mn2 N7 2.440(4) . ?
Cl1 O5 1.397(5) . ?
Cl1 O3 1.410(5) . ?
Cl1 O6 1.411(4) . ?
Cl1 O4 1.435(5) . ?
Cl2 O8 1.353(7) . ?
Cl2 O9 1.400(5) . ?
Cl2 O10 1.423(6) . ?
Cl2 O7 1.430(6) . ?
N1 C3 1.473(6) . ?
N1 C13 1.489(6) . ?
N1 C1 1.502(6) . ?
N2 C15 1.476(6) . ?
N2 C2 1.485(6) . ?
N2 C25 1.486(6) . ?
N3 C4 1.321(6) . ?
N3 C11 1.376(6) . ?
N4 C16 1.311(6) . ?
N4 C23 1.380(6) . ?
N5 C29 1.480(6) . ?
N5 C39 1.485(6) . ?
N5 C27 1.496(6) . ?
N6 C41 1.465(6) . ?
N6 C51 1.492(6) . ?
N6 C28 1.494(6) . ?
N7 C30 1.301(6) . ?
N7 C37 1.381(6) . ?
N8 C42 1.308(6) . ?
N8 C49 1.384(6) . ?
C1 C2 1.488(7) . ?
C3 C4 1.500(7) . ?
C4 C5 1.400(7) . ?
C5 C6 1.354(8) . ?
C6 C12 1.406(8) . ?
C7 C8 1.358(9) . ?
C7 C12 1.424(8) . ?
C8 C9 1.397(9) . ?
C9 C10 1.368(7) . ?
C10 C11 1.416(7) . ?
C11 C12 1.407(7) . ?
C13 C14 1.500(7) . ?
C15 C16 1.490(7) . ?
C16 C17 1.402(7) . ?
C17 C18 1.360(8) . ?
C18 C24 1.420(8) . ?
C19 C20 1.344(8) . ?
C19 C24 1.402(8) . ?
C20 C21 1.409(8) . ?
C21 C22 1.373(7) . ?
C22 C23 1.422(7) . ?
C23 C24 1.415(7) . ?
C25 C26 1.522(7) . ?
C27 C28 1.495(7) . ?
C29 C30 1.496(7) . ?
C30 C31 1.425(7) . ?
C31 C32 1.359(8) . ?
C32 C38 1.409(8) . ?
C33 C34 1.362(9) . ?
C33 C38 1.416(8) . ?
C34 C35 1.392(8) . ?
C35 C36 1.381(7) . ?
C36 C37 1.402(7) . ?
C37 C38 1.418(7) . ?
C39 C40 1.519(7) . ?
C41 C42 1.488(7) . ?
C42 C43 1.414(7) . ?
C43 C44 1.350(7) . ?
C44 C50 1.398(7) . ?
C45 C46 1.342(8) . ?
C45 C50 1.416(7) . ?
C46 C47 1.409(8) . ?
C47 C48 1.376(7) . ?
C48 C49 1.403(7) . ?
C49 C50 1.418(7) . ?
C51 C52 1.509(6) . ?
